3-methyl-4-[3-[7-oxidanylidene-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: 3-methyl-4-[3-[7-oxidanylidene-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: 3-methyl-4-[3-[7-oxo-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: 3-methyl-4-[3-[7-oxo-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxyphenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: 3-methyl-4-[3-[7-oxo-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxyphenyl]sulfonylpiperazine-1-carboxamide Traditional Name: 4-[3-[7-keto-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-phenyl]sulfonyl-3-methyl-piperazine-1-carboxamide Formula: C29H36N8O5S MolecularWeight: 608.71174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5C)C(=O)N)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5C)C(=O)N)OCCC

InChI

InChI=1S/C29H36N8O5S/c1-4-8-23-25-26(34-36(23)18-20-9-6-7-12-31-20)28(38)33-27(32-25)22-16-21(10-11-24(22)42-15-5-2)43(40,41)37-14-13-35(29(30)39)17-19(37)3/h6-7,9-12,16,19H,4-5,8,13-15,17-18H2,1-3H3,(H2,30,39)(H,32,33,38)